3-ethyl-2-methylhexan-1-amine

C9H21N — CID 91121737

IUPAC3-ethyl-2-methylhexan-1-amine
SMILESCCCC(CC)C(C)CN
InChIInChI=1S/C9H21N/c1-4-6-9(5-2)8(3)7-10/h8-9H,4-7,10H2,1-3H3
InChIKeyRCQUSVTXPYJYFB-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.41
Rot. Bonds5

About 3-ethyl-2-methylhexan-1-amine

3-ethyl-2-methylhexan-1-amine (PubChem CID 91121737) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 3-ethyl-2-methylhexan-1-amine.

Molecular Properties

Compound Name3-ethyl-2-methylhexan-1-amine
PubChem CID91121737
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name3-ethyl-2-methylhexan-1-amine
SMILESCCCC(CC)C(C)CN
InChIInChI=1S/C9H21N/c1-4-6-9(5-2)8(3)7-10/h8-9H,4-7,10H2,1-3H3
InChIKeyRCQUSVTXPYJYFB-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-2-methylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-2-methylpentane-1,5-diamine
CID 88540021
4-ethyl-3-methylheptan-1-amine
CID 143231179
4,5-diethyloctane
CID 519254
3-methyl-2-propylhexan-1-amine
CID 89026240
6-ethyl-2,5-dimethylnonane
CID 54499682
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225
7-ethyl-3,6-dimethyldecane
CID 57491785
(3R)-3-ethyl-2-methylhexane
CID 59954424
3-ethyl-4-methylhexan-1-amine
CID 123538643
ethane;2-propan-2-ylpentan-1-amine
CID 153346460
4,8-diethyl-5-methylundecane
CID 59928875

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylhexan-1-amine?
The IUPAC name of 3-ethyl-2-methylhexan-1-amine (CID 91121737) is 3-ethyl-2-methylhexan-1-amine.
What is the SMILES notation for 3-ethyl-2-methylhexan-1-amine?
The canonical SMILES for 3-ethyl-2-methylhexan-1-amine is CCCC(CC)C(C)CN.
What is the InChIKey of 3-ethyl-2-methylhexan-1-amine?
The InChIKey is RCQUSVTXPYJYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-4-6-9(5-2)8(3)7-10/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 3-ethyl-2-methylhexan-1-amine?
3-ethyl-2-methylhexan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylhexan-1-amine is sourced from PubChem (CID 91121737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).